Chemical ID: 6419665

Cc1c(cnc(c1O)C)COP(=O)(O)O
Chemical ID:
6419665
Name [?]:
(5-hydroxy-4,6-dimethyl-3-pyridyl)methoxyphosphonic acid
SMILES [?]:
Cc1c(cnc(c1O)C)COP(=O)(O)O
InChi [?]:
InChI=1/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,4,10,2,6,3,7,5,8,13,14,15,11,12/E:(11,12,13)/rA:15nCCCCNCCOCCOPOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s3;s10;s11;d12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12NO5P
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.99147
Area:394.594
Solvation:-3.87339
Coulombic:-72.7982
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.158
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-1.13
LogP (Chemaxon):-3.57

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